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Meeting 6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
Symposium 6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
Presentation Title Accelerated HEA Development and Evaluation via Combined Approach of Additive Manufacturing, Machine Learning, and Thermodynamic Modeling
Author(s) Phalgun Nelaturu, Jason Hattrick-Simpers, Thien Duong, Michael Moorehead, Santanu Chauduri, Adrien Couet, Dan J Thoma
On-Site Speaker (Planned) Phalgun Nelaturu
Abstract Scope Additive manufacturing via directed energy deposition was employed as a high-throughput technique to synthesize alloys in the Cr-Fe-Mn-Ni quaternary system. 120 alloy compositions were synthesized in a week, exploring a vast portion of the composition space. Tight compositional control within ±5 at% and <0.2% unmelted powder fraction were achieved. The rapid synthesis combined with rapid heat treatment, characterization, and nano- and micro-hardness measurements enabled high-throughput evaluation of these materials. The large dataset of experimentally measured properties were used to develop a predictive hardening model using active machine learning algorithm coupled with thermodynamic modeling. The overall high-throughput framework being developed for material discovery will be presented along with important insights into advantages of coupling blind machine learning with physics-based modeling.
Proceedings Inclusion? Definite: Other

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Computational Tool for Designing Protective Oxide Scale Formation
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A Multiscale Approach on Strategy to Mitigate Deformation Twinning in Magnesium Alloys
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Accelerated ICME Design and Development of a New Single Crystal Ni Alloy with High Performance and Processibility
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An ICME Approach to Development of a Low-Cost Magnesium Sheet Component for Automotive Applications
An ICME Framework for Heat Treating Additively Manufactured Nitrogen Atomized 17-4PH Stainless Steel
An Integrated Recursive Framework for Arbitrarily Multiscale and Multi-fidelity Modeling
Analysis and Numerical Simulation of Microstructural Anisotropy Behavior of DIN 1623 St14 Steel Before and After Recrystallisation
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Atomistic Simulation and Calculation of Interfacial Properties of Fe, Fe3Al8, and FeZn13 in Galvanized Steels
Bridging High-Fidelity and Macroscopic Simulations of the Laser Powder Bed Fusion Processes
Calculation of Initial Stage of Solidified Shell Deformation During γ to δ Transformation in Continuous Casting Mold of Steel
CALPHAD-Guided Alloy Design and Processing Approach for Strong and Tough Titanium Boride Based Ceramics & Composites
Computational Design of Lithium-ion Batteries Using Multi-Scale Models and Machine Learning
Computational Fluid Dynamic Analysis to Evaluate Coating Film Thickness During Dip Coating Process
Computational Study of Li-Ion Conduction Mechanisms in Solid Electrolytes
Core Structure, Energy, and Mobility of Pyramidal Dislocations in Magnesium
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Effect of Grain Boundary Migration on Radiation Induced Segregation in Polycrystalline Metal
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Hybrid Quantum–Classical Simulations of Metal Corrosion in Aqueous Environments
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